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Yorodumi- PDB-2j72: alpha-glucan recognition by a family 41 carbohydrate-binding modu... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2j72 | |||||||||
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Title | alpha-glucan recognition by a family 41 carbohydrate-binding module from Thermotoga maritima pullulanase PulA | |||||||||
Components | PULLULANASE | |||||||||
Keywords | HYDROLASE / CARBOHYDRATE-BINDING MODULE / GLYCOSIDASE / MALTOTETRAOSE / BETA- SANDWICH FOLD / ALPHA-GLUCAN BINDING | |||||||||
Function / homology | Function and homology information pullulanase / pullulanase activity / carbohydrate binding / carbohydrate metabolic process Similarity search - Function | |||||||||
Biological species | THERMOTOGA MARITIMA (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.49 Å | |||||||||
Authors | Lammerts van Bueren, A. / Boraston, A.B. | |||||||||
Citation | Journal: J.Mol.Biol. / Year: 2007 Title: The Structural Basis of Alpha-Glucan Recognition by a Family 41 Carbohydrate-Binding Module from Thermotoga Maritima Authors: Lammerts Van Bueren, A. / Boraston, A.B. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2j72.cif.gz | 116.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2j72.ent.gz | 90.4 KB | Display | PDB format |
PDBx/mmJSON format | 2j72.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/j7/2j72 ftp://data.pdbj.org/pub/pdb/validation_reports/j7/2j72 | HTTPS FTP |
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-Related structure data
Related structure data | 2j71SC 2j73C S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 12077.711 Da / Num. of mol.: 2 / Fragment: RESIDUES 20-120 Source method: isolated from a genetically manipulated source Source: (gene. exp.) THERMOTOGA MARITIMA (bacteria) / Plasmid: PET150 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: O33840, pullulanase #2: Polysaccharide | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 1.71 Å3/Da / Density % sol: 27.71 % |
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-Data collection
Diffraction | Mean temperature: 113 K |
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Diffraction source | Source: ROTATING ANODE / Wavelength: 1.5418 |
Detector | Type: RIGAKU IMAGE PLATE / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.49→19.81 Å / Num. obs: 33245 / % possible obs: 97.5 % / Observed criterion σ(I): 2 / Redundancy: 3.97 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 11.9 |
Reflection shell | Resolution: 1.49→1.54 Å / Redundancy: 3.37 % / Rmerge(I) obs: 0.4 / Mean I/σ(I) obs: 2.8 / % possible all: 94.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2J71 Resolution: 1.49→52.7 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.944 / SU B: 2.086 / SU ML: 0.071 / Cross valid method: THROUGHOUT / ESU R: 0.108 / ESU R Free: 0.093 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 16.68 Å2
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Refinement step | Cycle: LAST / Resolution: 1.49→52.7 Å
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Refine LS restraints |
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